input word = C00030545

Metabolite InformationStructural formula
Name Isosafrol glycol
Formula C10H12O4
Mw 196.07355887
CAS RN 62512-79-2
C_ID C00030545 ,
InChIKey YIRAEUKOPKEBHB-UHFFFAOYNA-N
InChICode InChI=1S/C10H12O4/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6,10-12H,5H2,1H3/t6-,10-/m1/s1
SMILES c1c(ccc2c1OCO2)[C@@H]([C@@H](C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia salicifolia Ref.
zoom in